SCHEMBL31014283

SCHEMBL31014283

O=c1[nH]nc(-c2ccccc2)c2cc3ccccc3cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.68
ATM Q13315 1/20 0.68
KDM4E B2RXH2 7/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 7/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALPL P05186 1/20 0.47
IDO1 P14902 1/20 0.47
TTK P33981 1/20 0.47
MAPK10 P53779 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL581143 0.81 NPSR1 (1.00) NPSR1ATMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL29870198 0.81 NPSR1 (1.00) NPSR1ATMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31014287 0.81 NPSR1 (0.71) NPSR1ATMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL11682988 0.79 ALDH1A1 (0.62) NPSR1ATMKDM4EALDH1A1HPGD
SCHEMBL31677101 0.79 ALDH1A1 (0.62) NPSR1ATMKDM4EALDH1A1HPGD
SCHEMBL31014285 0.78 NPSR1 (0.67) NPSR1ATMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31014284 0.78 NPSR1 (0.67) NPSR1ATMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1785622 0.78 NPSR1 (0.67) NPSR1ATMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31014277 0.78 NPSR1 (0.67) NPSR1ATMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31014281 0.78 NPSR1 (0.67) NPSR1ATMKDM4ESMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496166-A Preparation method of phthalazinone compound 五邑大学 2024-08-16 CN claimed
CN-118496166-A Preparation method of phthalazinone compound 五邑大学 2024-08-16 CN disclosed